Geometry & MOs

Info

ID:	124783
PubChem CID:	50895797
Reduced:	SN2Cl3O3H13C15 (1)
Stoich.:	AB2C3D3E13F15 (1)
Weight, g/mol:	403.18173
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	6.8
IP(EA), eV:	-9.5(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(2,6-diethyl-N-(4-methylphenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(CC(=O)N)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations